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4R92

BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(isonicotinamido)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0016020cellular_componentmembrane
B0004190molecular_functionaspartic-type endopeptidase activity
B0006508biological_processproteolysis
B0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 3KU A 501
ChainResidue
AASP93
AASP289
AGLY291
ATHR292
AHOH972
AHOH993
AGLY95
AVAL130
ATYR132
ALYS168
APHE169
APHE170
AILE171
AARG189

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE TLA B 501
ChainResidue
BARG68
BASN89
BHIS110
BARG111
BASN175
BHOH793
BHOH794
BHOH815
BHOH913

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE TLA B 502
ChainResidue
ALYS300
BHIS106
BPHE108
BASP167
BLYS168
BHOH738
BHOH834
BHOH927
BHOH994

site_idAC4
Number of Residues17
DetailsBINDING SITE FOR RESIDUE 3KU B 503
ChainResidue
BASP93
BGLY95
BVAL130
BTYR132
BLYS168
BPHE169
BPHE170
BILE171
BARG189
BASP289
BGLY291
BTHR292
BHOH996
BHOH998
BHOH999
BHOH1002
BHOH1006

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ILVDTGSSNFAV
ChainResidueDetails
AILE90-VAL101

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
AASP93
AASP289
BASP93
BASP289

site_idSWS_FT_FI2
Number of Residues14
DetailsMOD_RES: N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241
ChainResidueDetails
ALYS126
BLYS279
BLYS285
BLYS299
BLYS300
BLYS307
ALYS275
ALYS279
ALYS285
ALYS299
ALYS300
ALYS307
BLYS126
BLYS275

site_idSWS_FT_FI3
Number of Residues8
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN153
AASN172
AASN223
AASN354
BASN153
BASN172
BASN223
BASN354

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PDB entries from 2024-10-30

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